SCHEMBL22868072

SCHEMBL22868072

CCCc1sc2cc(C)ccc2c1NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.55
▸ HSD17B2 P37059 2/20 0.55
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LCK P06239 11/20 0.38
▸ SREBF2 Q12772 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.35
▸ MCL1 Q07820 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29581347 1.00 HSD17B1 (0.55) HSD17B1HSD17B2MAPTNPC1LMNA
SCHEMBL23289627 0.74 CNR2 (0.44) HSD17B1HSD17B2MAPTNPC1LMNA
SCHEMBL22868116 0.73 HSD17B2 (0.77) HSD17B1HSD17B2MAPTNPC1LMNA
SCHEMBL23274029 0.72 MEN1 (0.41) MAPTNPC1LMNAGAARAB9A
SCHEMBL22867228 0.71 HSD17B2 (1.00) HSD17B1HSD17B2
SCHEMBL29582435 0.71 HSD17B2 (1.00) HSD17B1HSD17B2
SCHEMBL2391319 0.70 CXCR2 (0.53) HSD17B2MAPTNPC1LMNAGAA
SCHEMBL18829298 0.69 HPGD (0.43) MAPTNPC1GAARAB9ALCK
SCHEMBL25969748 0.67 MEN1 (0.47) MAPTNPC1LMNAGAARAB9A
SCHEMBL22868075 0.67 GAA (0.42) HSD17B1HSD17B2MAPTNPC1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 — — WO disclosed
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